YZr(InCu2)2
Alexandria ALEXAlex-ID: agm034726091 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_78_spg166
Zr2InCu2 YInCu4 YIn3
2025-06-30 23:05:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034726091).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm034726091
data_agm034726091
_cell_length_a 8.03892
_cell_length_b 8.03892
_cell_length_c 8.03892
_cell_angle_alpha 33.42347
_cell_angle_beta 33.42347
_cell_angle_gamma 33.42347
_cell_volume 140.36670
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Y1 Y 0.00000 0.00000 0.00000 1.00000
Zr1 Zr 0.50000 0.50000 0.50000 1.00000
In1 In 0.24963 0.24963 0.24963 1.00000
In2 In 0.75037 0.75037 0.75037 1.00000
Cu1 Cu 0.62077 0.62077 0.62077 1.00000
Cu2 Cu 0.12806 0.12806 0.12806 1.00000
Cu3 Cu 0.87194 0.87194 0.87194 1.00000
Cu4 Cu 0.37923 0.37923 0.37923 1.00000
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